2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol

C11H20O3S — CID 117168545

IUPAC2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(CC2CCSC2)OCC(CCO)O1
InChIInChI=1S/C11H20O3S/c1-11(6-9-3-5-15-8-9)13-7-10(14-11)2-4-12/h9-10,12H,2-8H2,1H3
InChIKeyUWEOBYXLELTGKA-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.64
Rot. Bonds4

About 2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol

2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168545) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol
PubChem CID117168545
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(CC2CCSC2)OCC(CCO)O1
InChIInChI=1S/C11H20O3S/c1-11(6-9-3-5-15-8-9)13-7-10(14-11)2-4-12/h9-10,12H,2-8H2,1H3
InChIKeyUWEOBYXLELTGKA-UHFFFAOYSA-N
XLogP1.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(1,3-dithian-2-yl)pentan-3-ol
CID 13874752
[(3aS,6aR)-2,2-diethyl-4-(hydroxymethyl)-6,6a-dihydro-3aH-thieno[3,4-d][1,3]dioxol-4-yl]methanol
CID 162420133
2-[4-(2,2-Dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol
CID 13770294
2-[(3S,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]ethanol
CID 18599376
(3-Methyl-1,4-dioxa-7-thiaspiro[4.4]nonan-9-yl)methanol
CID 70396306
[3-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methylsulfanylmethyl]cyclopentyl]methanol
CID 141938424
[(3aS,6aR)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-thieno[3,4-d][1,3]dioxol-4-yl]methanol
CID 146347429
1-[5-(3-Butylsulfanylbutan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 164091778
(3S,7aS)-3,3a,4,6,7,7a-hexahydro-2H-thiopyrano[4,3-b]furan-3-ol;2,2,4-trimethyl-1,3-dioxolane
CID 169106860
(1R,2R,3R)-4-[(R)-tert-butylsulfinyl]-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)butane-1,3-diol
CID 44234867
3-(1,4-Dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)-2-methylpropan-1-ol
CID 66103378
[2-(Thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 115094450

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol (CID 117168545) is 2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol is CC1(CC2CCSC2)OCC(CCO)O1.
What is the InChIKey of 2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is UWEOBYXLELTGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-11(6-9-3-5-15-8-9)13-7-10(14-11)2-4-12/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 232.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).